1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one

C18H36N2O — CID 121340853

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one
SMILESCCC[15NH]C(C)(C)C(=O)C(C)(C)CN1C(C)CCCC1C
InChIInChI=1S/C18H36N2O/c1-8-12-19-18(6,7)16(21)17(4,5)13-20-14(2)10-9-11-15(20)3/h14-15,19H,8-13H2,1-7H3/i19+1
InChIKeyFADRLQKUBQBTDA-QHPTYGIKSA-N
MW297.49 g/mol
LogP3.62
Rot. Bonds7

About 1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one

1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one (PubChem CID 121340853) has the molecular formula C18H36N2O and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one
PubChem CID121340853
Molecular FormulaC18H36N2O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one
SMILESCCC[15NH]C(C)(C)C(=O)C(C)(C)CN1C(C)CCCC1C
InChIInChI=1S/C18H36N2O/c1-8-12-19-18(6,7)16(21)17(4,5)13-20-14(2)10-9-11-15(20)3/h14-15,19H,8-13H2,1-7H3/i19+1
InChIKeyFADRLQKUBQBTDA-QHPTYGIKSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one
CID 20750257
1-(Azepan-1-yl)-2-(tert-butylamino)-4,4-dimethylpentan-3-one
CID 20750262
1-(Azocan-1-yl)-2-(tert-butylamino)-4,4-dimethylpentan-3-one
CID 20750263
4-(Tert-butylamino)-2,2-dimethyl-6-piperidin-1-ylhexan-3-one
CID 20750298
2-(Tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one
CID 20750337
2-(Tert-butylamino)-4,4-dimethyl-1-piperidin-1-ylpentan-3-one
CID 20750341
2-(Tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one
CID 20750348
4-(Tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one
CID 20750405
2-(Tert-butylamino)-1-(1,1-dimethylpiperidin-1-ium-4-yl)-4,4-dimethylpentan-3-one
CID 21306383
1-[6-Aminohexyl(tert-butyl)amino]-3,3-dimethylbutan-2-one
CID 22887982
2-(Tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-4-yl)pentan-3-one
CID 22973021
2,2-Dimethyl-1-piperazin-2-ylpropan-1-one
CID 23188731

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one (CID 121340853) is 1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one is CCC[15NH]C(C)(C)C(=O)C(C)(C)CN1C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one?
The InChIKey is FADRLQKUBQBTDA-QHPTYGIKSA-N. The full InChI is InChI=1S/C18H36N2O/c1-8-12-19-18(6,7)16(21)17(4,5)13-20-14(2)10-9-11-15(20)3/h14-15,19H,8-13H2,1-7H3/i19+1.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one?
1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one has a molecular weight of 297.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one is sourced from PubChem (CID 121340853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).